SCHEMBL7919995

SCHEMBL7919995

O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 19/20 1.00
CDK2 P24941 19/20 1.00
CCNA1 P78396 19/20 1.00
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5867707 0.90 CCNA2 (0.82) CCNA2CDK2CCNA1
SCHEMBL5867924 0.88 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL5868051 0.88 CCNA2 (0.78) CCNA2CDK2CCNA1
SCHEMBL5867578 0.88 CCNA2 (0.78) CCNA2CDK2CCNA1
SCHEMBL5867729 0.88 CCNA2 (0.78) CCNA2CDK2CCNA1
SCHEMBL4314346 0.87 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL5867521 0.87 CCNA2 (1.00) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5868066 0.85 CCNA2 (0.78) CCNA2CDK2CCNA1
SCHEMBL5867929 0.85 CCNA2 (0.74) CCNA2CDK2CCNA1
SCHEMBL5867556 0.85 CDK2 (0.85) CCNA2CDK2CCNA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 US disclosed